methylcarbamoyl 2-[5-(2-azanylpyridin-4-yl)-4-ethyl-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethanoate

Systemtic Name: methylcarbamoyl 2-[5-(2-azanylpyridin-4-yl)-4-ethyl-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethanoate Openeye Name: methylcarbamoyl 2-[5-(2-amino-4-pyridyl)-4-ethyl-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate CAS Name: 2-[5-(2-amino-4-pyridinyl)-4-ethyl-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[5-(2-aminopyridin-4-yl)-4-ethyl-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[5-(2-amino-4-pyridyl)-4-ethyl-3-keto-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=CC(=NC=C4)N)CC(=O)OC(=O)NC

Isomeric SMILES

CCC1(C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=CC(=NC=C4)N)CC(=O)OC(=O)NC

InChI

InChI=1S/C29H32N4O4/c1-3-29(18-25(34)37-28(36)31-2)26(21-13-15-32-24(30)17-21)23-12-8-7-11-22(23)19-33(27(29)35)16-14-20-9-5-4-6-10-20/h4-13,15,17,26H,3,14,16,18-19H2,1-2H3,(H2,30,32)(H,31,36)